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Calcium in PDB 3sje: X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid, PDB code: 3sje was solved by A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.57 / 1.70
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.824, 130.231, 159.171, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 18.8

Other elements in 3sje:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid (pdb code 3sje). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid, PDB code: 3sje:

Calcium binding site 1 out of 1 in 3sje

Go back to Calcium Binding Sites List in 3sje
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1753

b:15.6
occ:1.00
 OE2 A:GLU436 2.3 20.2 1.0
O A:TYR272 2.3 19.9 1.0
O A:THR269 2.4 17.4 1.0
OE1 A:GLU433 2.4 19.9 1.0
OE2 A:GLU433 2.4 19.9 1.0
O A:HOH1805 2.4 18.2 1.0
OG1 A:THR269 2.5 18.8 1.0
CD A:GLU433 2.8 17.4 1.0
C A:THR269 3.3 17.9 1.0
CB A:THR269 3.3 20.0 1.0
C A:TYR272 3.4 18.6 1.0
CD A:GLU436 3.4 19.0 1.0
OE1 A:GLU436 3.9 19.7 1.0
N A:TYR272 3.9 19.8 1.0
CA A:THR269 3.9 19.5 1.0
CA A:PRO273 4.2 20.7 1.0
N A:ALA274 4.2 18.9 1.0
CB A:ASP266 4.2 20.9 1.0
N A:PRO273 4.3 20.3 1.0
N A:PRO270 4.3 19.0 1.0
CG A:GLU433 4.3 18.6 1.0
CA A:TYR272 4.4 19.6 1.0
C A:PRO273 4.4 19.5 1.0
CA A:PRO270 4.5 20.2 1.0
N A:ASP266 4.5 19.8 1.0
N A:GLY271 4.5 19.2 1.0
O A:ASP266 4.5 22.0 1.0
O A:ALA264 4.6 23.1 1.0
N A:THR269 4.7 18.9 1.0
CG A:GLU436 4.7 17.4 1.0
CG2 A:THR269 4.7 21.1 1.0
C A:PRO270 4.8 19.4 1.0
OD2 A:ASP266 4.8 23.3 1.0
CB A:GLU436 4.9 18.8 1.0
CA A:ASP266 4.9 20.8 1.0
C A:GLY271 4.9 21.7 1.0
CB A:ALA274 4.9 21.0 1.0
CA A:GLU433 5.0 16.4 1.0

Reference:

A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.J.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka. Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem. V. 54 7535 2011.
ISSN: ISSN 0022-2623
PubMed: 21923190
DOI: 10.1021/JM200807M
Page generated: Sat Jul 13 19:16:47 2024

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